COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.036   3.280   0.977  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.413   2.645  -0.921  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.044   2.126  -1.131  1.00  0.00           C  
HETATM    4  C   UNL     1       0.904  -0.141   0.050  1.00  0.00           C  
HETATM    5  C   UNL     1       2.974   1.195   0.041  1.00  0.00           C  
HETATM    6  C   UNL     1       6.551   0.631   1.109  1.00  0.00           C  
HETATM    7  C   UNL     1       7.196   0.563  -0.111  1.00  0.00           C  
HETATM    8  C   UNL     1       6.476   0.703  -1.283  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.338  -3.471  -0.048  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.177  -4.041  -1.225  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.908  -3.240   0.051  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.090  -4.146   1.270  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.498  -2.711   0.024  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.122  -1.375   0.068  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.225   0.937   0.169  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.438   2.024   0.291  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.447   3.375   0.359  1.00  0.00           C  
HETATM   18  C   UNL     1       0.177   1.011   0.124  1.00  0.00           C  
HETATM   19  C   UNL     1       4.463   0.968  -0.013  1.00  0.00           C  
HETATM   20  C   UNL     1       5.185   0.833   1.159  1.00  0.00           C  
HETATM   21  C   UNL     1       5.110   0.911  -1.233  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.830  -0.238   0.140  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.975   2.099   0.243  1.00  0.00           N  
HETATM   24  N   UNL     1       2.282  -0.096   0.010  1.00  0.00           N  
HETATM   25  N   UNL     1       0.247  -1.345   0.022  1.00  0.00           N  
HETATM   26  N   UNL     1       0.700  -2.667  -0.050  1.00  0.00           N  
HETATM   27  H   UNL     1      -4.097   3.138   2.056  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.451   4.168   0.740  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.695   3.240  -1.685  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.079   1.142  -1.600  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.466   2.817  -1.744  1.00  0.00           H  
HETATM   32  H   UNL     1       2.720   1.722   0.961  1.00  0.00           H  
HETATM   33  H   UNL     1       2.667   1.792  -0.817  1.00  0.00           H  
HETATM   34  H   UNL     1       7.114   0.522   2.025  1.00  0.00           H  
HETATM   35  H   UNL     1       8.263   0.401  -0.150  1.00  0.00           H  
HETATM   36  H   UNL     1       6.980   0.651  -2.236  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.296  -4.549  -0.095  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.477  -4.874  -1.285  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.198  -4.423  -1.206  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.048  -3.395  -2.093  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.608  -2.406   0.110  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.391  -4.980   1.210  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.899  -3.576   2.179  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.111  -4.529   1.289  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.765   1.113   0.791  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.176   2.918   1.028  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.705   4.419   0.183  1.00  0.00           H  
HETATM   48  H   UNL     1       0.674   1.969   0.147  1.00  0.00           H  
HETATM   49  H   UNL     1       4.679   0.877   2.112  1.00  0.00           H  
HETATM   50  H   UNL     1       4.546   1.017  -2.148  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.533   2.962   0.265  1.00  0.00           H  
HETATM   52  H   UNL     1       2.793  -0.919  -0.038  1.00  0.00           H  
CONECT    1   16   17   27   28                                       
CONECT    2    3   17   29                                            
CONECT    3   16    2   30   31                                       
CONECT    4   24   25   18   18                                       
CONECT    5   24   19   32   33                                       
CONECT    6   20   20    7   34                                       
CONECT    7    8    8    6   35                                       
CONECT    8   21    7    7   36                                       
CONECT    9   26   26   13   37                                       
CONECT   10   11   38   39   40                                       
CONECT   11   13   12   10   41                                       
CONECT   12   11   42   43   44                                       
CONECT   13    9   14   14   11                                       
CONECT   14   25   13   13   22                                       
CONECT   15   18   22   22   23                                       
CONECT   16   23    1    3   45                                       
CONECT   17    1    2   46   47                                       
CONECT   18    4    4   15   48                                       
CONECT   19    5   21   21   20                                       
CONECT   20   19    6    6   49                                       
CONECT   21   19   19    8   50                                       
CONECT   22   14   15   15                                            
CONECT   23   15   16   51                                            
CONECT   24    5    4   52                                            
CONECT   25   26    4   14                                            
CONECT   26    9    9   25                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
